4-azanyl-5-iodanyl-6-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid

Systemtic Name: 4-azanyl-5-iodanyl-6-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid Openeye Name: 4-amino-5-iodo-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid CAS Name: 4-amino-5-iodo-6-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxylic acid IUPAC Name: 4-amino-5-iodo-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid Traditional Name: 4-amino-5-iodo-6-keto-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid Formula: C12H7F3IN3O3 MolecularWeight: 425.10196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C(=C(C(=N2)C(=O)O)N)I)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C(=C(C(=N2)C(=O)O)N)I)C(F)(F)F

InChI

InChI=1S/C12H7F3IN3O3/c13-12(14,15)5-2-1-3-6(4-5)19-10(20)7(16)8(17)9(18-19)11(21)22/h1-4H,17H2,(H,21,22)